Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.43 |
| ▸ | MMP1 | P03956 | 4/20 | 0.43 |
| ▸ | MMP3 | P08254 | 4/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21034984 | 0.95 | CA12 (0.48) | AKR1C3MMP1MMP3MMP9ADAM17 | |
| SCHEMBL21035346 | 0.95 | CA12 (0.48) | AKR1C3MMP1MMP3MMP9ADAM17 | |
| SCHEMBL21035399 | 0.92 | HTR1A (0.44) | AKR1C3MMP1MMP3MMP9ADAM17 | |
| SCHEMBL21035314 | 0.92 | HTR1A (0.44) | AKR1C3MMP1MMP3MMP9ADAM17 | |
| SCHEMBL21035522 | 0.90 | MMP1 (0.43) | AKR1C3MMP1MMP3MMP9ADAM17 | |
| SCHEMBL21036271 | 0.89 | MMP9 (0.42) | AKR1C3MMP1MMP3MMP9ADAM17 | |
| SCHEMBL21035657 | 0.88 | MMP9 (0.43) | AKR1C3MMP1MMP3MMP9ADAM17 | |
| SCHEMBL21034975 | 0.88 | MMP9 (0.43) | AKR1C3MMP1MMP3MMP9ADAM17 | |
| SCHEMBL21035352 | 0.86 | CA12 (0.46) | MMP1MMP3MMP9ADAM17CA12 | |
| SCHEMBL21034977 | 0.86 | CA12 (0.46) | MMP1MMP3MMP9ADAM17CA12 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019104011-A1 | CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE | BIOMARIN PHARMACEUTICAL INC. (US) | 2019-05-31 | — | — | WO | disclosed |